N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,2-benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,2-benzothiazole-3-carboxamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,2-benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G795-0624 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-1,2-benzothiazole-3-carboxamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C24 H19 N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccccc1NC(c1c2ccccc2sn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7864 |
| logD: | 4.7862 |
| logSw: | -4.8484 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.932 |
| InChI Key: | HEGLTGLVLLKVRU-UHFFFAOYSA-N |